methyl hydrogen sulfate; 4-methyl-6-phenyl-benzo[f]quinolin-4-ium

Systemtic Name: methyl hydrogen sulfate; 4-methyl-6-phenyl-benzo[f]quinolin-4-ium Openeye Name: methyl hydrogen sulfate; 4-methyl-6-phenyl-benzo[f]quinolin-4-ium CAS Name: 4-methyl-6-phenylbenzo[f]quinolin-4-ium; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 4-methyl-6-phenylbenzo[f]quinolin-4-ium Traditional Name: 4-methyl-6-phenyl-benzo[f]quinolin-4-ium; sulfuric acid methyl ester Formula: C21H20NO4S+ MolecularWeight: 382.4528

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=C(C3=CC=CC=C23)C4=CC=CC=C4.COS(=O)(=O)O

Isomeric SMILES

C[N+]1=CC=CC2=C1C=C(C3=CC=CC=C23)C4=CC=CC=C4.COS(=O)(=O)O

InChI

InChI=1S/C20H16N.CH4O4S/c1-21-13-7-12-18-16-10-5-6-11-17(16)19(14-20(18)21)15-8-3-2-4-9-15;1-5-6(2,3)4/h2-14H,1H3;1H3,(H,2,3,4)/q+1;